(2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-[(1-pyridin-4-yltriazol-4-yl)methoxy]oxane-3,4,5-triol

C14H18N4O6 — CID 56946890

IUPAC(2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-[(1-pyridin-4-yltriazol-4-yl)methoxy]oxane-3,4,5-triol
SMILESOC[C@H]1O[C@H](OCc2cn(-c3ccncc3)nn2)[C@@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C14H18N4O6/c19-6-10-11(20)12(21)13(22)14(24-10)23-7-8-5-18(17-16-8)9-1-3-15-4-2-9/h1-5,10-14,19-22H,6-7H2/t10-,11-,12+,13+,14+/m1/s1
InChIKeyALHAGZVQGCJALR-DGTMBMJNSA-N
MW338.32 g/mol
LogP-2.02
Rot. Bonds5

About (2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-[(1-pyridin-4-yltriazol-4-yl)methoxy]oxane-3,4,5-triol

(2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-[(1-pyridin-4-yltriazol-4-yl)methoxy]oxane-3,4,5-triol (PubChem CID 56946890) has the molecular formula C14H18N4O6 and a molecular weight of 338.32 g/mol. Its IUPAC name is (2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-[(1-pyridin-4-yltriazol-4-yl)methoxy]oxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-[(1-pyridin-4-yltriazol-4-yl)methoxy]oxane-3,4,5-triol
PubChem CID56946890
Molecular FormulaC14H18N4O6
Molecular Weight338.32 g/mol
Exact Mass338.12
IUPAC Name(2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-[(1-pyridin-4-yltriazol-4-yl)methoxy]oxane-3,4,5-triol
SMILESOC[C@H]1O[C@H](OCc2cn(-c3ccncc3)nn2)[C@@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C14H18N4O6/c19-6-10-11(20)12(21)13(22)14(24-10)23-7-8-5-18(17-16-8)9-1-3-15-4-2-9/h1-5,10-14,19-22H,6-7H2/t10-,11-,12+,13+,14+/m1/s1
InChIKeyALHAGZVQGCJALR-DGTMBMJNSA-N
XLogP-2.02
TPSA142.98 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.32
LogP ≤ 5-2.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-[(1-pyridin-4-yltriazol-4-yl)methoxy]oxane-3,4,5-triol?
The IUPAC name of (2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-[(1-pyridin-4-yltriazol-4-yl)methoxy]oxane-3,4,5-triol (CID 56946890) is (2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-[(1-pyridin-4-yltriazol-4-yl)methoxy]oxane-3,4,5-triol.
What is the SMILES notation for (2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-[(1-pyridin-4-yltriazol-4-yl)methoxy]oxane-3,4,5-triol?
The canonical SMILES for (2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-[(1-pyridin-4-yltriazol-4-yl)methoxy]oxane-3,4,5-triol is OC[C@H]1O[C@H](OCc2cn(-c3ccncc3)nn2)[C@@H](O)[C@@H](O)[C@@H]1O.
What is the InChIKey of (2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-[(1-pyridin-4-yltriazol-4-yl)methoxy]oxane-3,4,5-triol?
The InChIKey is ALHAGZVQGCJALR-DGTMBMJNSA-N. The full InChI is InChI=1S/C14H18N4O6/c19-6-10-11(20)12(21)13(22)14(24-10)23-7-8-5-18(17-16-8)9-1-3-15-4-2-9/h1-5,10-14,19-22H,6-7H2/t10-,11-,12+,13+,14+/m1/s1.
What are the key properties of (2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-[(1-pyridin-4-yltriazol-4-yl)methoxy]oxane-3,4,5-triol?
(2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-[(1-pyridin-4-yltriazol-4-yl)methoxy]oxane-3,4,5-triol has a molecular weight of 338.32 g/mol, XLogP of -2.02, 5 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-[(1-pyridin-4-yltriazol-4-yl)methoxy]oxane-3,4,5-triol is sourced from PubChem (CID 56946890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).